(3-methylphenyl)methyl 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate

Systemtic Name: (3-methylphenyl)methyl 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: m-tolylmethyl 3-(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoate CAS Name: 3-[1-butyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]propanoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)propionic acid (3-methylbenzyl) ester Formula: C26H33N3O5S MolecularWeight: 499.62232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OCC4=CC=CC(=C4)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OCC4=CC=CC(=C4)C

InChI

InChI=1S/C26H33N3O5S/c1-3-4-12-29-24-9-8-22(35(31,32)28-13-15-33-16-14-28)18-23(24)27-25(29)10-11-26(30)34-19-21-7-5-6-20(2)17-21/h5-9,17-18H,3-4,10-16,19H2,1-2H3